Information card for entry 2234813

Structure parameters

• Chemical name: Methyl 5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate
• Formula: C11 H13 N O4
• Calculated formula: C11 H13 N O4
• SMILES: O1N[C@@H](c2ccccc2)C[C@]1(O)C(=O)OC.O1N[C@H](c2ccccc2)C[C@@]1(O)C(=O)OC
• Title of publication: Methyl 5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate
• Authors of publication: Ye, Jia; Liu, Ya-Nan; Cheng, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1537
• a: 11.8322 ± 0.0003 Å
• b: 6.0853 ± 0.0001 Å
• c: 15.857 ± 0.0003 Å
• α: 90°
• β: 101.864 ± 0.002°
• γ: 90°
• Cell volume: 1117.35 ± 0.04 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes